The Chemical Educator
ISSN: 1430-4171 (electronic version)
Abstract Volume 18
(2013) pp 099-103
Solvent Effects on Electronic Absorption: Positive and Negative Solvatochromism
Sarah J. Schmidtke Sobeck
Department of Chemistry, College of Wooster, 943 College Mall, Wooster, OH 44691 USA, email@example.com
Published: 3 May 2013
Abstract. A combined experimental and theoretical experiment examining the solvent-dependent electronic transitions of two dye molecules is reported. Experimentally the solvatochromic shifts are measured for Michler’s ketone and Reichardt’s dye. The experimental electronic spectra are considered in the context of solvent properties and quantum calculations of the dyes. Comparisons are made between different levels of theories, and molecular orbitals involved in the spectral transitions are visualized. Coupling computational and spectroscopic methods allows for a comprehensive analysis of the solvent-solute interactions by providing both bulk and molecular level pictures of the chemical system. This experiment is designed for an upper level physical chemistry laboratory.
Key Words: Laboratories and Demonstrations; physical chemistry; quantum mechanics; electronic spectroscopy & quantum calculations; laboratory activity; solvatochromism
(*) Corresponding author. (E-mail: firstname.lastname@example.org)
Sample student laboratory handouts, instructor notes, representative data, and computational input files (606 KB).